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Information card for entry 2239140
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| Coordinates | 2239140.cif |
|---|---|
| Structure factors | 2239140.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1<i>H</i>-benzimidazole methanol monosolvate |
|---|---|
| Formula | C19 H17 Cl N2 O2 S |
| Calculated formula | C19 H17 Cl N2 O2 S |
| Title of publication | 5-Chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1<i>H</i>-benzimidazole methanol monosolvate |
| Authors of publication | Flores-Ramos, Miguel; Castillo, Rafael; Hernández-Campos, Alicia; Flores-Alamo, Marcos |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | o77 |
| a | 7.4094 ± 0.0006 Å |
| b | 9.1941 ± 0.0008 Å |
| c | 14.4253 ± 0.0011 Å |
| α | 73.978 ± 0.007° |
| β | 75.315 ± 0.007° |
| γ | 75.136 ± 0.007° |
| Cell volume | 895.08 ± 0.13 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0871 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.1115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181891 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239140.cif 2239140.hkl |
| 181310 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/91. |
2239140.cif 2239140.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239140.cif 2239140.hkl |
| 105029 | 2014-03-11 | cif/ hkl/ Adding structures of 2239140 via cif-deposit CGI script. |
2239140.cif 2239140.hkl |
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Users of the data should acknowledge the original authors of the
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